N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine

C55H51N — CID 146492826

IUPACN-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine
SMILESCC(C)=C/C=C(\C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(C4=C3C=CC(C)C4)c3ccccc3C3(C)C=CC=CC32)cc1
InChIInChI=1S/C55H51N/c1-35(2)19-21-37(4)38-22-24-39(25-23-38)56(40-26-29-43-42-14-8-9-15-46(42)53(5,6)49(43)33-40)41-27-30-45-44-28-20-36(3)32-50(44)55(51(45)34-41)48-17-11-10-16-47(48)54(7)31-13-12-18-52(54)55/h8-31,33-34,36,52H,32H2,1-7H3/b37-21+
InChIKeyIIEFOZBOBSOINE-FDALDRLYSA-N
MW726.02 g/mol
LogP14.49
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine (PubChem CID 146492826) has the molecular formula C55H51N and a molecular weight of 726.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine
PubChem CID146492826
Molecular FormulaC55H51N
Molecular Weight726.02 g/mol
Exact Mass725.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine
SMILESCC(C)=C/C=C(\C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(C4=C3C=CC(C)C4)c3ccccc3C3(C)C=CC=CC32)cc1
InChIInChI=1S/C55H51N/c1-35(2)19-21-37(4)38-22-24-39(25-23-38)56(40-26-29-43-42-14-8-9-15-46(42)53(5,6)49(43)33-40)41-27-30-45-44-28-20-36(3)32-50(44)55(51(45)34-41)48-17-11-10-16-47(48)54(7)31-13-12-18-52(54)55/h8-31,33-34,36,52H,32H2,1-7H3/b37-21+
InChIKeyIIEFOZBOBSOINE-FDALDRLYSA-N
XLogP14.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.02
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine
CID 123291128
N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine
CID 166670977
9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
CID 89152690
4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
CID 139978989
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine
CID 166025148
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine
CID 89189750

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine (CID 146492826) is N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine is CC(C)=C/C=C(\C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(C4=C3C=CC(C)C4)c3ccccc3C3(C)C=CC=CC32)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine?
The InChIKey is IIEFOZBOBSOINE-FDALDRLYSA-N. The full InChI is InChI=1S/C55H51N/c1-35(2)19-21-37(4)38-22-24-39(25-23-38)56(40-26-29-43-42-14-8-9-15-46(42)53(5,6)49(43)33-40)41-27-30-45-44-28-20-36(3)32-50(44)55(51(45)34-41)48-17-11-10-16-47(48)54(7)31-13-12-18-52(54)55/h8-31,33-34,36,52H,32H2,1-7H3/b37-21+.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine?
N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine has a molecular weight of 726.02 g/mol, XLogP of 14.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine is sourced from PubChem (CID 146492826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).